1-benzothiophen-2-ylmethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(4R)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[(4R)-7-keto-1-p-anisyl-azepan-4-yl]-methyl-ammonium Formula: C24H29N2O2S+ MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)[C@@H]3CCC(=O)N(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N2O2S/c1-25(17-22-15-19-5-3-4-6-23(19)29-22)20-9-12-24(27)26(14-13-20)16-18-7-10-21(28-2)11-8-18/h3-8,10-11,15,20H,9,12-14,16-17H2,1-2H3/p+1/t20-/m1/s1